SCHEMBL18280613

SCHEMBL18280613

NC1=COc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MAPKAPK2 P49137 1/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
ANPEP P15144 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTR2A P28223 1/20 0.31
CYP1A2 P05177 2/20 0.31
NISCH Q9Y2I1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL295062 0.76 MAOA (0.50) MAOAMAOBLMNASMN1; SMN2OXTR
SCHEMBL2013569 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL4551344 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL1707855 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL295061 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL276642 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL30714851 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL224499 0.74 MAOA (0.48) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL4539282 0.71 MAOA (0.41) MAOAMAOBOXTRNISCHCYP2D6
SCHEMBL2230058 0.71 MAOA (0.41) MAOAMAOBSMN1; SMN2OXTRKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT PPARG, CDK5, CDK5R1 MAOA 3837/4885MAOB 3448/4885MAPKAPK2 355/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.